Metabolites
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Ethinyl Estradiol, Estrogen receptor alpha agonistCas#: 57-63-6 Compound CID: 5991Formula: C20H24O2 Molecular Weight: 296.4IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diolSMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OInChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-NInChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1Synonyms: Ethinylestradiol (Standard) | Ethynyloestradiol | Estigyn | 17-Ethinylestradiol | CHEBI:4903 | Ethinyl Estradiol [USP...
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15(S)-HETE, Agonist of BLT 2 receptorCas#: 54845-95-3Formula: C20H32O3 Molecular Weight: 320.47IUPAC Name: (5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acidSMILES: CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)OInChIKey: JSFATNQSLKRBCI-VAEKSGALSA-NInChI: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1Synonyms: HMS1361C19 | Icomucret | (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate | NCGC00161242-03 | 15-Hete | 15(S)-H...
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12(S)-HETE, Agonist of BLT 2 receptor;Agonist of GPR31Cas#: 54397-83-0 Compound CID: 5283155Formula: C20H32O3 Molecular Weight: 320.47IUPAC Name: (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acidSMILES: CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OInChIKey: ZNHVWPKMFKADKW-LQWMCKPYSA-NInChI: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1Synonyms: (E,Z,Z,Z)-12-hydroxy-5,8,10,14-Eicosatetraenoate | GTPL3404 | HMS3402A21 | 12(S)-Hydroxyeicosatetraenoic acid | 5,8,1...
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12-epi Leukotriene B4, Agonist of BLT 2 receptorCas#: 83709-73-3 Compound CID: 5283130Formula: C20H32O4 Molecular Weight: 336.5IUPAC Name: (5S,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acidSMILES: CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)OInChIKey: VNYSSYRCGWBHLG-CBBLYLIKSA-NInChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1Synonyms: 12(S)-Leukotriene B4 | AKOS040756146 | 5(S),12(S)-Dihydroxyeicosatetraenoate | 12-Epi leukotriene B4 | 6,8,10,14-Eico...
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12(S)-Hydroxy-(5Z,8E,10E)-heptadecatrienoic acidCas#: 54397-84-1 Compound CID: 5283141Formula: C17H28O3 Molecular Weight: 280.4IUPAC Name: (5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acidSMILES: CCCCCC(C=CC=CCC=CCCCC(=O)O)OInChIKey: KUKJHGXXZWHSBG-WBGSEQOASA-NInChI: InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1Synonyms: 12-hydroxyheptadecatrienoic acid | LMFA03050002 | 12S-hydroxy-5Z,8E,10E-heptadecatrienoic acid | HY-113330 | 12-Hht |...
